N-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)methylamino]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)methylamino]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[(4-fluorobenzyl)amino]-3-nitro-benzenesulfonamide Formula: C17H21FN4O4S MolecularWeight: 396.436443

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C17H21FN4O4S/c1-21(2)10-9-20-27(25,26)15-7-8-16(17(11-15)22(23)24)19-12-13-3-5-14(18)6-4-13/h3-8,11,19-20H,9-10,12H2,1-2H3